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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM50075474'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Dissociation constant against galectin-3 using competitive fluorescence polarization


Eur J Med Chem 125: 940-951 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.021
BindingDB Entry DOI: 10.7270/Q2ZC8597
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Inhibition of recombinant LSD1 (157 to 852) (unknown origin) transfected in Escherichia coli BL21(DE) by fluorescence assay


J Med Chem 58: 1705-16 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00037
BindingDB Entry DOI: 10.7270/Q2CC12CZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Ke

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 3521-3528 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.065
BindingDB Entry DOI: 10.7270/Q2SB486Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin) (157 to 852 residues) expressed in Escherichia coli BL21(DE) cells using H3K4me2 as substrate by horseradish pero...


Citation and Details

Article DOI: 10.1039/d0md00141d
BindingDB Entry DOI: 10.7270/Q23R0XGK
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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Article
PubMed
n/an/a 650n/an/an/an/an/an/a



Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Ke

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Bioorg Med Chem Lett 27: 3521-3528 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.065
BindingDB Entry DOI: 10.7270/Q2SB486Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50075474
PNG
(CHEMBL3415352)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N
Show InChI InChI=1S/C18H18N6O3S2/c1-5-6-29-18-21-14(11(9-19)16(22-18)23-24-17(20)28)10-7-12(25-2)15(27-4)13(8-10)26-3/h1,7-8H,6H2,2-4H3,(H3,20,24,28)(H,21,22,23)
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n/an/an/a 3.70E+3n/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant LSD1(unknown origin)


J Med Chem 58: 1705-16 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00037
BindingDB Entry DOI: 10.7270/Q2CC12CZ
More data for this
Ligand-Target Pair